SCHEMBL16294690

SCHEMBL16294690

CC(C)(C)NC(=O)OC[C@H]1CC[C@@H](COC(=O)NC(C)(C)C)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.31
CNR2 P34972 1/20 0.30
POLB P06746 1/20 0.30
GBA1 P04062 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16294838 1.00 MEN1 (0.33) MEN1MAPTKMT2AATMSMN1; SMN2
SCHEMBL19792667 0.90 MEN1 (0.30) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL28662047 0.84 LMNA (0.42) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL17242140 0.84 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL2905444 0.84 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL10290412 0.80 LMNA (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5936419 0.79 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1TP53CYP3A4LMNA
SCHEMBL13244904 0.78 CYP1A2 (0.39)
SCHEMBL25284961 0.76 MEN1 (0.42) MEN1MAPTKMT2AATMSMN1; SMN2
SCHEMBL19267841 0.76 MEN1 (0.46) MEN1MAPTKMT2AATMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029395-A1 SYNTHESIS OF DERIVATIVES OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) ARCHER DANIELS MIDLAND COMPANY 2017-02-02 US disclosed
US-20170029395-A1 SYNTHESIS OF DERIVATIVES OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) ARCHER DANIELS MIDLAND COMPANY 2017-02-02 US disclosed
US-20170029395-A1 SYNTHESIS OF DERIVATIVES OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) ARCHER DANIELS MIDLAND COMPANY 2017-02-02 US disclosed
US-9487537-B2 Synthesis of isohexide dicarbamates and derivatives thereof ARCHER DANIELS MIDLAND CO. (US) 2016-11-08 US disclosed
US-9487537-B2 Synthesis of isohexide dicarbamates and derivatives thereof ARCHER DANIELS MIDLAND CO. (US) 2016-11-08 US disclosed
EP-3008058-A1 SYNTHESIS OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) AND DERIVATIVES THEREOF Archer Daniels Midland Company (US) 2016-04-20 EP disclosed
US-20160031842-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-02-04 US disclosed
US-20160031842-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-02-04 US disclosed
WO-2014200636-A1 SYNTHESIS OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2014-12-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160031842-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF DCK, MCCC2, PRKAA1 MEN1 214/4885MAPT 2005/4885KMT2A 1758/4885
US-20170029395-A1 SYNTHESIS OF DERIVATIVES OF DICARBAMATES FROM REDUCTION PRODUCTS OF 2-HYDROXYMETHYL-5-FURUFURAL (HMF) MGMT, TKFC, DMPK MEN1 200/4885MAPT 1854/4885KMT2A 1250/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.